CNDO/2 caluclations on phlorin trianion: a model for a bilatriene-type of bile pigmentBHATTACHARJEE, K. K; SUBRAMANIAN, J.Perkin transactions. 2. 1987, Num 3, pp 267-269, issn 0300-9580Article

Conformational analyses of poly(methylene disulphide)OHSAKU, M; IMAMURA, A.Polymer communications. 1984, Vol 25, Num 8, pp 251-253Article

Quantum chemical investigation of support-metal interactions and their influence on chemisorption. I: The system H...Ni-SiO₂HABERLANDT, H; RITSCHI, F.Journal of physical chemistry (1952). 1983, Vol 87, Num 17, pp 3244-3251, issn 0022-3654Article

PARAMETRES POUR LES METHODES SEMI-EMPIRIQUES DE CALCUL DES MOLECULES A L'APPROXIMATION CNDOVOLKOV VB; ZHOGOLEV DA.1979; ZH. STRUKT. KHIM.; SUN; DA. 1979; VOL. 20; NO 4; PP. 693-713; BIBL. 61 REF.Article

Theoretical analysis of deoxycytidine-5'-phosphate protonationSTARIKOV, E. B; PEDASH, Y. F.Biopolymers. 1990, Vol 30, Num 3-4, pp 349-355, issn 0006-3525, 7 p.Article

Influence de la diéthylamine sur l'activité de polymérisation de l'acide méthacrylique dans différents milieuxKUZNETSOVA, O. N; AVVAKUMOVA, N. I.Vysokomolekulârnye soedineniâ. Seriâ B. 1989, Vol 31, Num 7, pp 534-539, issn 0507-5483Article

CNDO/2-Berechnungen zum Zerfall von R-CBr₃-Verbindungen = Calcul de CNDO/2 pour la décomposition des composés R-CBr₃ = CNDO/2 calculations for the decomposition of R-CBr₃ compoundsVETTER, R; GEY, E; EPPERLEIN, J et al.Journal für Signalaufzeichnungsmaterialien. 1984, Vol 12, Num 6, pp 411-413, issn 0323-598XArticle

ETUDE DE LA STRUCTURE ELECTRONIQUE DES MACROMOLECULES DE CARBONE POUR LA METHODE CNDO/2STANKEVICH IV; TOMILIN OB.1977; ZH. STRUKT KHIM.; S.S.S.R.; DA. 1977; VOL. 18; NO 4; PP. 772-773; BIBL. 10 REF.Article

A THEORETICAL STUDY OF THE REACTIVE DIMERIZATION OF HCN.MOFFAT JB; TANG KF.1976; J. THEOR. BIOL.; U.S.A.; DA. 1976; VOL. 58; NO 1; PP. 83-95; BIBL. 32 REF.Article

Theoretical studies on organic transition-metal complexes. I: Parameterization and calibration of an extended CNDO/2 method for the calculation of stability constantsHUNTER, J. A; MORLEY, J. O.Polyhedron. 1987, Vol 6, Num 6, pp 1215-1222, issn 0277-5387Article

A molecular orbital approach to the effect of acid and base on mutarotation of D-glucoseIMAMURA, A; OKAJIMA, T; KANDA, K et al.Bulletin of the Chemical Society of Japan. 1986, Vol 59, Num 3, pp 943-945, issn 0009-2673Article

Zur semiempirischen Interpretation der Anisotropie des ²⁹Si-NMR-Abschirmungstensors in Silicaten = Semiempirical interpretation of ²⁹Si paramagnetic shielding in silicatesVOGEL, C; WOLFF, R; RADEGLIA, R et al.Zeitschrift für physikalische Chemie (Leipzig). 1989, Vol 270, Num 6, pp 1073-1085, issn 0323-4479, 13 p.Article

Structure électronique et réactivité des dérivés de l'éthylènethiouréeBOLOTIN, A. B; KIRO, Z. B; PIPIRAJTE, P. P et al.Kaučuk i rezina. 1988, Num 11, pp 22-25, issn 0022-9466Article

Zum Zusammenhang der sauren und katalytischen Eigenschaften der Komplexe von Aluminiumchlorid und Protonendonatoren bei der Polymerisation von Olefinen = Relation entre les propriétés acides et catalytiques de complexes de chlorures d'aluminium et de donneurs de protons dans la polymérisation d'oléfines = On the relations of acid and catalytic properties of complexes of aluminium chlorid and proton donnors in olefines polymerizationSANGALOV, JU. A; JASMAN, JU. B; NELKENBAUM, JU. JA et al.Acta polymerica. 1987, Vol 38, Num 2, pp 134-138, issn 0323-7648Article

Correlation between the electronic structure of cyclic oxides and their ability for undergoing anionic polymerization. Quantum chemical investigationGELLER, N. M; EIZNER, Y. Y; KROPACHEV, V. A et al.Acta polymerica. 1985, Vol 36, Num 5, pp 263-265, issn 0323-7648Article

INFLUENCE OF STERIC EFFECTS ON THE NUCLEOPHILIC REACTIVITY OF THE THIOCARBONYL GROUP.GONBEAU D; PFISTER GUILLOUZO G.1977; J. CHEM. RES., SYNOPSES; G.B.; DA. 1977; NO 8; PP. 210-211; BIBL. 4 REF.; SYNOPSIS. TEXTE INTEGRAL (EN FR.): J. CHEM. RES., MINIPRINT, G.B. 1977, 2341-2352Article

CALCULS QUANTOCHIMIQUES DES PARAMETRES SPECTROSCOPIQUES ET REACTIVITE DES IONS ARENONIUMABRONIN IA; CHUVYLKIN ND; ZHIDOMIROV GM et al.1980; IZV. SIB. OTD. AKAD. NAUK SSSR, SER. HIM. NAUK; ISSN 0002-3426; SUN; DA. 1980; NO 3; PP. 96-105; ABS. ENG; BIBL. 29 REF.Article

Heptafulvalene-3,4-dione, a novel p-tropoquinone methide-type compoundTAKAHASHI, K; NAMEKATA, N; TAKASE, K et al.Tetrahedron letters. 1986, Vol 27, Num 45, pp 5515-5516, issn 0040-4039Article

STRUCTURE ELECTRIQUE ET PROPRIETES SPECTRALES DES O-NAPHTOQUINONEDIAZIDESKALIBABCHUK VA; DIDKOVSKIJ VE.1981; TEOR. EKSP. HIM.; ISSN 0497-2627; UKR; DA. 1981; VOL. 17; NO 6; PP. 823-828; BIBL. 13 REF.Article

Analysis of the inadequacies of some semi-empirical MO methods as theories of structure and reactivityDE BRUIJN, S.International journal of quantum chemistry. 1984, Vol 25, Num 2, pp 367-390, issn 0020-7608Article

Calcul des moments dipolaires des molécules aromatiques par la méthode CNDO/2PANKRATOV, A. N; MUSHTAKOVA, S. P; GRIBOV, L. A et al.Žurnal fizičeskoj himii. 1984, Vol 58, Num 10, pp 2608-2609, issn 0044-4537Article

Theoretical conformational analysis of phospholipids. I: Study of the interactions between phospholipid molecules by use of semi-empirical methods with the explicit introduction of polar head-group interactionsKREISSLER, M; LEMAIRE, B; BOTHOREL, P et al.Biochimica et biophysica acta. 1983, Num 735, pp 12-22, issn 0006-3002Article

MODES DE REACTION DE SUBSTITUTION NUCLEOPHILE AU NIVEAU DES ATOMES DE SOUFRE ET DE PHOSPHORE DANS LES GROUPES SULFINYLE ET PHOSPHINYLEMINYAEV RM; MINKIN VI; KLETSKIJ ME et al.1978; ZH. ORG. KHIM.; S.S.S.R.; DA. 1978; VOL. 14; NO 3; PP. 449-455; BIBL. 15 REF.Article

LCVO-MO EMPIRICAL APPROXIMATE QUANTUMCHEMICAL METHOD FOR MANY ELECTRON SYSTEMS I.NAGY J.1977; PERIOD. POLYTECH., CHEM. ENGNG; HONGR.; DA. 1977; VOL. 21; NO 3; PP. 249-258; BIBL. 10 REF.Article

SOME CNDO/2 CALCULATIONS ON POSSIBLE INTERMEDIATES IN THE LITHIUM ALKYL BASED POLYMERISATION OF ETHENE.GARDNER K; PARSONS IW.1977; IN: MACRO 77. INT. SYMP. MACROMOL. PROC.; DUBLIN, IREL.; 1977; S.L.; DA. 1977; VOL. 1; PP. 113-118; BIBL. 8 REF.Conference Paper